Geometry & MOs

Info

ID:

423993

PubChem CID:

135120954

Reduced:

ON8H22C23 (1)

Stoich.:

AB8C22D23 (1)

Weight, g/mol:

521.215093

ΔHf, kcal/mol:

129.67

Dipole, Da:

2.37

IP(EA), eV:

 -9.06(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2=CC=C(C=C2)CN3C=C(N=N3)C(=O)NCC4=CN=C5C(=C4)C=CN5

DOS

IR

Vibrations